Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
SMILES:
CN(C1CNCC1C2=CC=C(C=C2)F)C(=O)N(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FMolecular Processing
Molecular formula
C21H20F7N3O
Molecular weight
463.4
Exact mass
463.1495
XLogP
5.11
TPSA
35.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
103.81
Supplementary Information
InChIKey: KDVDYFPDJRIXHD-UHFFFAOYSA-N
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